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	hartrees
Energy at 0K	-189.140043
Energy at 298.15K
HF Energy	-189.140043
Nuclear repulsion energy	117.124244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3514	3514	1.33
2	A	3419	3419	0.25
3	A	3065	3065	0.06
4	A	1695	1695	0.69
5	A	1587	1587	17.49
6	A	1290	1290	0.51
7	A	1248	1248	0.01
8	A	1007	1007	0.58
9	A	887	887	67.94
10	A	770	770	124.96
11	A	540	540	1.49
12	A	331	331	2.48
13	A	239	239	17.39
14	B	3513	3513	3.12
15	B	3417	3417	0.61
16	B	3070	3070	47.75
17	B	1593	1593	42.09
18	B	1347	1347	10.95
19	B	1157	1157	101.46
20	B	1091	1091	1.38
21	B	767	767	78.73
22	B	710	710	322.21
23	B	347	347	43.14
24	B	248	248	82.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.596	0.046
C2	-0.313	-0.596	0.046
N3	-0.313	1.853	-0.117
N4	0.313	-1.853	-0.117
H5	1.407	0.640	0.050
H6	-1.407	-0.640	0.050
H7	-1.329	1.793	-0.058
H8	1.329	-1.793	-0.058
H9	0.017	2.549	0.551
H10	-0.017	-2.549	0.551

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3454	1.4143	2.4541	1.0948	2.1175	2.0349	2.5978	2.0390	3.2016
C2	1.3454		2.4541	1.4143	2.1175	1.0948	2.5978	2.0349	3.2016	2.0390
N3	1.4143	2.4541		3.7588	2.1112	2.7277	1.0195	3.9993	1.0196	4.4623
N4	2.4541	1.4143	3.7588		2.7277	2.1112	3.9993	1.0195	4.4623	1.0196
H5	1.0948	2.1175	2.1112	2.7277		3.0911	2.9708	2.4367	2.4137	3.5281
H6	2.1175	1.0948	2.7277	2.1112	3.0911		2.4367	2.9708	3.5281	2.4137
H7	2.0349	2.5978	1.0195	3.9993	2.9708	2.4367		4.4637	1.6594	4.5764
H8	2.5978	2.0349	3.9993	1.0195	2.4367	2.9708	4.4637		4.5764	1.6594
H9	2.0390	3.2016	1.0196	4.4623	2.4137	3.5281	1.6594	4.5764		5.0978
H10	3.2016	2.0390	4.4623	1.0196	3.5281	2.4137	4.5764	1.6594	5.0978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.547	C1	C2	H6	120.048
C1	N3	H7	112.447	C1	N3	H9	112.802
C2	C1	N3	125.547	C2	C1	H5	120.048
C2	N4	H8	112.447	C2	N4	H10	112.802
N3	C1	H5	113.978	N4	C2	H6	113.978
H7	N3	H9	108.934	H8	N4	H10	108.934

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.049
2	C	-0.049
3	N	-0.288
4	N	-0.288
5	H	0.046
6	H	0.046
7	H	0.140
8	H	0.140
9	H	0.152
10	H	0.152

	x	y	z	Total
	0.000	0.000	1.926	1.926
CHELPG
AIM
ESP

	x	y	z
x	6.167	-0.034	0.000
y	-0.034	10.043	0.000
z	0.000	0.000	4.588

<r²>	98.533
(<r²>)^1/2	9.926

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)